SCHEMBL20249195

SCHEMBL20249195

CC(C)(CO)COc1ccc(C(C)(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.41
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.32
P4HTM Q9NXG6 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20089009 0.83 PTGS2 (0.38) MRGPRX4P4HTM
SCHEMBL20085933 0.82 EGLN2 (0.39) NUDT1MRGPRX4P4HTMCHRNB2CHRNA4
SCHEMBL20037814 0.81 NUDT1 (0.45) NUDT1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL20037619 0.80 NUDT1 (0.48) NUDT1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL20037812 0.80 NUDT1 (0.41) NUDT1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL20249203 0.79 CYP3A4 (0.47) SMN1; SMN2CHRNB2CHRNA4
SCHEMBL20249230 0.79 POLB (0.33) MRGPRX4CHRNB2CHRNA4
SCHEMBL22043316 0.79 CACNA1I (0.40) MRGPRX4SMN1; SMN2CHRNB2CHRNA4
SCHEMBL20249214 0.78 CYP3A4 (0.39) SMN1; SMN2
SCHEMBL18291562 0.78 CACNA1I (0.42) NUDT1PRKAB2PRKAG1PRKAA2PRKAA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 NUDT1 822/4885PRKAB2 1613/4885PRKAG1 1539/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.